790575 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 9 10 11 11 12 12 14 14 15 15 16 17 17 18 18 19 19 20 21 22 22 22 23 23 23 24 24 24 9 22 19 23 13 13 14 29 6 8 11 10 12 8 9 13 25 10 26 15 27 16 28 17 18 16 30 31 20 32 21 33 20 21 34 35 36 37 38 24 39 40 41 42 43 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 6.3301 2.866 5.4641 6.3301 8.9282 8.9282 7.1962 8.0622 7.1962 8.0622 9.8222 9.8222 6.3301 5.4641 10.7282 10.7282 4.5981 5.4641 3.732 3.732 4.5981 6.3301 2.866 2 8.0622 8.0622 9.815 9.815 6.8671 11.2639 11.2639 4.5981 6.001 3.1951 4.5981 6.9501 6.3301 5.7101 3.0781 3.4766 1.69 1.4631 2.31 2.75 -2.25 1.25 -0.25 1.25 2.25 1.25 0.75 2.25 2.75 0.7153 2.7847 0.75 -0.75 1.2292 2.2708 -0.25 -1.75 -1.75 -0.75 -2.25 3.75 -3.25 -3.75 0.13 3.37 0.0954 3.4046 -0.56 0.9171 2.5829 0.37 -2.06 -0.44 -2.87 3.75 4.37 3.75 -3.8326 -3.1423 -3.2131 -4.06 -4.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 5 6 6 7 7 9 11 12 14 14 15 17 18 19 19 6 8 11 10 12 8 9 10 15 16 17 18 16 20 21 20 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 406 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A30000000000000000000000000000000000000003060C0000000000000C15400001E00100000000C0CA1980232C6C2C00400880225525000820800252200088801066CC80C2636C4B59B863968E6F411C8E987B8C8F08EE040030000180000C080060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-3-methoxy-naphthalene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-3-methoxy-2-naphthalenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-ethoxyphenyl)-3-methoxynaphthalene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-3-methoxynaphthalene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-ethoxyphenyl)-3-methoxy-naphthalene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-methoxy-N-p-phenetyl-2-naphthamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19NO3/c1-3-24-17-10-8-16(9-11-17)21-20(22)18-12-14-6-4-5-7-15(14)13-19(18)23-2/h4-13H,3H2,1-2H3,(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RHGZQBLFVXMWLY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.13649347 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.13649347 24 0 0 0 0 0 0 0 1 -1